(2-phenylbenzo[h]quinolin-4-yl)-piperidin-1-ium-2-yl-methanol chloride

Systemtic Name: (2-phenylbenzo[h]quinolin-4-yl)-piperidin-1-ium-2-yl-methanol chloride Openeye Name: (2-phenylbenzo[h]quinolin-4-yl)-piperidin-1-ium-2-yl-methanol chloride CAS Name: (2-phenyl-4-benzo[h]quinolinyl)-(2-piperidin-1-iumyl)methanol chloride IUPAC Name: (2-phenylbenzo[h]quinolin-4-yl)-piperidin-1-ium-2-ylmethanol chloride Traditional Name: (2-phenylbenzo[h]quinolin-4-yl)-piperidin-1-ium-2-yl-methanol chloride Formula: C25H25ClN2O MolecularWeight: 404.9318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(C1)C(C2=CC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)O.[Cl-]

Isomeric SMILES

C1CC[NH2+]C(C1)C(C2=CC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)O.[Cl-]

InChI

InChI=1S/C25H24N2O.ClH/c28-25(22-12-6-7-15-26-22)21-16-23(18-9-2-1-3-10-18)27-24-19-11-5-4-8-17(19)13-14-20(21)24;/h1-5,8-11,13-14,16,22,25-26,28H,6-7,12,15H2;1H